ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate

C21H17NO5 — CID 2763609

IUPACethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C21H17NO5/c1-2-26-20(24)16-13-17(22-19(23)15-11-7-4-8-12-15)21(25)27-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyJWSNPYGLRSSRSX-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.74
Rot. Bonds5

About ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate

ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate (PubChem CID 2763609) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate
PubChem CID2763609
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Nameethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C21H17NO5/c1-2-26-20(24)16-13-17(22-19(23)15-11-7-4-8-12-15)21(25)27-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyJWSNPYGLRSSRSX-UHFFFAOYSA-N
XLogP3.74
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate?
The IUPAC name of ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate (CID 2763609) is ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate?
The canonical SMILES for ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1-c1ccccc1.
What is the InChIKey of ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate?
The InChIKey is JWSNPYGLRSSRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-2-26-20(24)16-13-17(22-19(23)15-11-7-4-8-12-15)21(25)27-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate?
ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-6-oxo-2-phenylpyran-3-carboxylate is sourced from PubChem (CID 2763609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).